N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide

C16H23FN2O2 — CID 119587580

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCC(C)CC(CN)NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-11(2)9-14(10-18)19-16(21)8-7-15(20)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,21)
InChIKeyUVNDQKFNNBTZQV-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.28
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 119587580) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID119587580
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCC(C)CC(CN)NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-11(2)9-14(10-18)19-16(21)8-7-15(20)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,21)
InChIKeyUVNDQKFNNBTZQV-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119588182
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
N-(1-amino-4-methylpentan-2-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 119586839
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119586595
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
(2R)-2-[[4-(3,4-difluorophenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 119364252
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 119587580) is N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide is CC(C)CC(CN)NC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is UVNDQKFNNBTZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(2)9-14(10-18)19-16(21)8-7-15(20)12-3-5-13(17)6-4-12/h3-6,11,14H,7-10,18H2,1-2H3,(H,19,21).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 294.37 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 119587580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).